6-{(2R)-3-[(3,4-Dimethoxybenzyl)Amino]-2-Hydroxypropoxy}-2(1H)-Quinolinone

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Properties Simple | Detailed

Formula C21H24N2O5+
IUPAC Name 6-[(2r)-3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-propoxy]quinolin-2-one
Molecular Mass 384.426 g·mol−1
Heat of Formation -588.2 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 456.8 Å 3
Surface Area 419.34 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(2r)-3-[(3,4-dimethoxybenzyl)amino]-2-hydroxy-propoxy]carbostyril
  • 6-[(2r)-3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-propoxy]-1h-quinolin-2-one
  • d01198
  • toborinone (jan/usan)
InChIKey BYKYPZBCMBEEGU-MRXNPFEDSA-N
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